4-methyl-N-[2-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]benzamide

Systemtic Name: 4-methyl-N-[2-oxidanylidene-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]benzamide Openeye Name: 4-methyl-N-[2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]benzamide CAS Name: 4-methyl-N-[2-oxo-2-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methylamino]ethyl]benzamide IUPAC Name: 4-methyl-N-[2-oxo-2-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[(2-pyrrolidinopyridin-1-ium-4-yl)methylamino]ethyl]-4-methyl-benzamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C20H24N4O2/c1-15-4-6-17(7-5-15)20(26)23-14-19(25)22-13-16-8-9-21-18(12-16)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,25)(H,23,26)/p+1